SCHEMBL4393382

SCHEMBL4393382

NC[C@H]1CC[C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.71
ACACA Q13085 7/20 0.66
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP3A4 P08684 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
TACR3 P29371 2/20 0.62
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4393385 1.00 ACACB (0.71) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL13590801 0.94 ACACB (0.73) ACACBACACAKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4390259 0.93 ACACB (0.72) ACACBACACAKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4390263 0.93 ACACB (0.72) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL13590802 0.92 ACACB (0.67) ACACBACACAKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4396200 0.91 ACACB (0.66) ACACBACACAKDM4EALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4396194 0.91 ACACB (0.66) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4391974 0.91 ACACB (0.74) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4391971 0.91 ACACB (0.74) ACACBACACAKDM4EALDH1A1L3MBTL1
SCHEMBL4007641 0.89 ACACB (0.74) ACACBACACAKDM4EALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885KDM4E 1761/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.